Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TSPO | P30536 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27524135 | 0.85 | LTB4R (0.53) | KMT2A | |
| SCHEMBL3769274 | 0.80 | NR4A2 (0.38) | NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL1516137 | 0.80 | NPC1 (0.75) | NPC1RAB9AKMT2ASMN1; SMN2CA12 | |
| SCHEMBL3759361 | 0.77 | ACHE (0.40) | SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL4421574 | 0.74 | NPC1 (0.66) | NPC1RAB9AKMT2ASMN1; SMN2CA12 | |
| SCHEMBL28098701 | 0.74 | TSPO (0.41) | NPC1RAB9AALDH1A1TSPOHPGD | |
| SCHEMBL3163935 | 0.73 | NPC1 (0.75) | NPC1RAB9AKMT2ASMN1; SMN2CA12 | |
| SCHEMBL544272 | 0.73 | NPC1 (0.75) | NPC1RAB9AKMT2ASMN1; SMN2CA12 | |
| SCHEMBL29993175 | 0.73 | NPC1 (0.75) | NPC1RAB9AKMT2ASMN1; SMN2CA12 | |
| SCHEMBL544271 | 0.73 | NPC1 (0.75) | NPC1RAB9AKMT2ASMN1; SMN2CA12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112209847-B | Method for preparing amide compound under catalysis of ionic liquid in high-pressure environment | 烟台大学 | 2022-12-23 | — | — | CN | disclosed |
| CN-112209847-A | Method for preparing amide compound under catalysis of ionic liquid in high-pressure environment | 烟台大学 | 2021-01-12 | — | — | CN | disclosed |